Information card for entry 2216110

Structure parameters

• Chemical name: (2,2-Bipyridyl N,N'-dioxide-κ^2^O,O')trichloridobis(methanol-κO)terbium(III)
• Formula: C12 H16 Cl3 N2 O4 Tb
• Calculated formula: C12 H16 Cl3 N2 O4 Tb
• SMILES: c1cc2c3ccccn3=[O][Tb](Cl)([O]=n2cc1)([OH]C)([OH]C)(Cl)Cl
• Title of publication: (2,2-Bipyridyl <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>,<i>O</i>')trichloridobis(methanol-κ<i>O</i>)terbium(III)
• Authors of publication: Liu, Yin-Qiu; Zeng, Xi-Rui; Lei, Liang-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2693 - m2693
• a: 13.985 ± 0.004 Å
• b: 15.054 ± 0.004 Å
• c: 7.976 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1679.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes